4,6-di-tert-butyl-m-cresol

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Names

[ CAS No. ]:
497-39-2

[ Name ]:
4,6-di-tert-butyl-m-cresol

[Synonym ]:
EINECS 207-847-7
4,6-Di-tert-butyl-M-cresol
2,4-ditert-butyl-5-methylphenol
2,4-Di-tert-butyl-5-hydroxytoluene

Chemical & Physical Properties

[ Density]:
0.927g/cm3

[ Boiling Point ]:
284ºC

[ Melting Point ]:
62ºC

[ Molecular Formula ]:
C15H24O

[ Molecular Weight ]:
220.35000

[ Flash Point ]:
128ºC

[ Exact Mass ]:
220.18300

[ PSA ]:
20.23000

[ LogP ]:
4.29560

[ Vapour Pressure ]:
0.0018mmHg at 25°C

[ Index of Refraction ]:
1.498

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GO7800000
CHEMICAL NAME :
m-Cresol, 4,6-di-tert-butyl-
CAS REGISTRY NUMBER :
497-39-2
BEILSTEIN REFERENCE NO. :
2094885
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H24-O
MOLECULAR WEIGHT :
220.39
WISWESSER LINE NOTATION :
1X1&1&R BQ D1 EX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1420 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
20/21/22-36/37/38

[ Safety Phrases ]:
S26;S36/S37/S39

[ RTECS ]:
GO7800000

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • m-Cresol
  • Isobutylene
  • Sulfuric acid

DownStream

  • m-Cresol
  • Isobutylene
  • Phenol,4,6-bis(1,1-dimethylethyl)-3-methyl-2-nitro-
  • 2-tert-butyl-5-methylcyclohexa-2,5-diene-1,4-dione
  • 3,3',5,5'-tetra-tert-butyl-6,6'-dimethyl-[1,1'-biphenyl]-2,2'-diol
  • tris(2,4-ditert-butyl-5-methylphenyl) phosphite
  • 1,3,6,8-tetratert-butylphenanthrene-4,5-diol
  • 2-chloro-3-methyl-4,6-ditert-butyl-phenol
  • 3-methyl-2,4-dinitro-6-tert-butyl-phenol

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 2,2-THIOBIS[4,6-DI-TERT-BUTYL-M-CRESOL]
  • 2,2'-Thiobis(4,6-di-tert-butyl-m-cresol)
  • 2,2'-methylenebis[4,6-di-tert-butyl-m-cresol]
  • 4,6-DI-tert-BUTYL-α-PHENYL-o-CRESOL
  • 4,6-di(tert-butyl)-2-[N-(4-cyanophenyl)-N-methylamino]methoxyphenol
  • 4,6-Di-tert-butyl-3-nitro-1,2-benzoquinone